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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Feb-2021 | TSIII-IVA | Martín Torres, Inmaculada | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
9-Feb-2021 | TSI-IIB | Martín Torres, Inmaculada | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
9-Feb-2021 | TSI-IIA | Martín Torres, Inmaculada | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
9-Feb-2021 | III-A | Martín Torres, Inmaculada | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
9-Feb-2021 | III-B | Martín Torres, Inmaculada | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
9-Feb-2021 | II-B | Martín Torres, Inmaculada | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
9-Feb-2021 | IV-A | Martín Torres, Inmaculada | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
9-Feb-2021 | IV-B | Martín Torres, Inmaculada | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
9-Feb-2021 | II-A | Martín Torres, Inmaculada | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | ||||
9-Feb-2021 | TSIII-IVB | Martín Torres, Inmaculada | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - |
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